CID 3066413

3'-fluoro-4'-methoxy-2-phenyl-3-(1-piperidinyl)propiophenone hydrochloride

Structural Information

Molecular Formula
C21H24FNO2
SMILES
COC1=C(C=C(C=C1)C(=O)C(CN2CCCCC2)C3=CC=CC=C3)F
InChI
InChI=1S/C21H24FNO2/c1-25-20-11-10-17(14-19(20)22)21(24)18(16-8-4-2-5-9-16)15-23-12-6-3-7-13-23/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3
InChIKey
LWCQYWHRSSTYNS-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1791 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18638 182.6
[M+Na]+ 364.16832 185.7
[M-H]- 340.17182 188.0
[M+NH4]+ 359.21292 193.4
[M+K]+ 380.14226 181.0
[M+H-H2O]+ 324.17636 171.2
[M+HCOO]- 386.17730 197.6
[M+CH3COO]- 400.19295 212.4
[M+Na-2H]- 362.15377 181.9
[M]+ 341.17855 178.1
[M]- 341.17965 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.